Calcium in PDB 1loc: Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall

The structure of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall, PDB code: 1loc was solved by Y.Bourne, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.580, 139.800, 63.400, 90.00, 91.50, 90.00
R / Rfree (%)	18.9 / n/a

The structure of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Calcium atom in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall (pdb code 1loc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall, PDB code: 1loc:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca228 b:29.8 occ:1.00 OD1 A:ASN125 2.0 18.8 1.0 O A:HOH270 2.0 20.1 1.0 O A:PHE123 2.1 23.1 1.0 O A:HOH271 2.1 19.8 1.0 OD2 A:ASP121 2.3 23.1 1.0 OD2 A:ASP129 2.5 17.6 1.0 OD1 A:ASP121 2.6 21.1 1.0 CG A:ASP121 2.8 16.2 1.0 CG A:ASN125 3.2 11.5 1.0 C A:PHE123 3.4 12.2 1.0 CG A:ASP129 3.6 12.4 1.0 N A:ASN125 4.0 14.9 1.0 OD1 A:ASP129 4.0 13.4 1.0 CB A:ASN125 4.0 14.7 1.0 ND2 A:ASN125 4.3 12.6 1.0 O A:GLY99 4.3 11.4 1.0 CA A:PHE123 4.3 11.3 1.0 CB A:ASP121 4.3 16.8 1.0 N A:TYR124 4.4 14.4 1.0 N A:PHE123 4.4 12.5 1.0 MN A:MN229 4.5 18.4 1.0 CB A:PHE123 4.5 10.7 1.0 NE1 A:TRP128 4.5 14.9 1.0 O A:HOH272 4.6 2.0 1.0 O A:ASP81 4.6 11.0 1.0 CA A:TYR124 4.6 15.7 1.0 C A:TYR124 4.6 15.0 1.0 CA A:ASN125 4.7 14.8 1.0 OD1 A:ASP81 4.7 8.4 1.0 CD1 A:PHE123 4.7 9.9 1.0 CA A:GLY99 4.8 11.6 1.0 O A:HOH277 4.8 12.3 1.0 O A:HOH238 4.9 48.8 1.0 CB A:ASP129 5.0 14.5 1.0

Calcium binding site 2 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca458 b:47.8 occ:1.00 O C:PHE123 1.9 38.0 1.0 OD1 C:ASN125 2.2 36.3 1.0 O C:HOH486 2.3 44.3 1.0 O C:HOH487 2.4 22.9 1.0 OD1 C:ASP121 2.7 34.7 1.0 OD2 C:ASP129 2.8 31.9 1.0 OD2 C:ASP121 3.0 36.6 1.0 C C:PHE123 3.2 35.2 1.0 CG C:ASP121 3.2 33.6 1.0 CG C:ASN125 3.4 37.0 1.0 CG C:ASP129 3.9 32.0 1.0 N C:ASN125 4.2 37.6 1.0 CA C:PHE123 4.2 32.9 1.0 CB C:ASN125 4.2 35.9 1.0 N C:TYR124 4.2 35.7 1.0 O C:GLY99 4.3 22.3 1.0 OD1 C:ASP129 4.3 32.6 1.0 CD1 C:PHE123 4.4 35.9 1.0 N C:PHE123 4.4 32.2 1.0 ND2 C:ASN125 4.4 35.5 1.0 CB C:PHE123 4.4 33.9 1.0 OD1 C:ASP81 4.4 27.5 1.0 CA C:GLY99 4.5 23.3 1.0 CA C:TYR124 4.5 36.9 1.0 NE1 C:TRP128 4.5 27.1 1.0 C C:TYR124 4.6 38.3 1.0 CB C:ASP121 4.7 30.0 1.0 O C:HOH488 4.8 25.6 1.0 MN C:MN459 4.8 32.4 1.0 CA C:ASN125 4.8 37.2 1.0 O C:ASP81 4.8 23.6 1.0 C C:GLY99 4.9 23.6 1.0 CG C:PHE123 4.9 33.6 1.0

Calcium binding site 3 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca688 b:42.4 occ:1.00 O E:HOH711 2.1 30.6 1.0 O E:PHE123 2.1 25.7 1.0 OD1 E:ASN125 2.2 21.8 1.0 OD1 E:ASP121 2.7 23.9 1.0 O E:HOH712 2.8 22.6 1.0 OD2 E:ASP129 2.8 24.6 1.0 C E:PHE123 3.3 21.8 1.0 OD2 E:ASP121 3.3 16.7 1.0 CG E:ASP121 3.4 17.8 1.0 CG E:ASN125 3.5 21.6 1.0 CG E:ASP129 3.9 24.6 1.0 OD1 E:ASP81 4.0 22.6 1.0 CA E:PHE123 4.2 22.6 1.0 CB E:PHE123 4.3 21.9 1.0 N E:ASN125 4.3 26.7 1.0 N E:PHE123 4.3 23.3 1.0 CB E:ASN125 4.3 23.3 1.0 N E:TYR124 4.3 25.2 1.0 ND2 E:ASN125 4.3 21.1 1.0 OD1 E:ASP129 4.4 25.2 1.0 O E:GLY99 4.4 19.8 1.0 CD1 E:PHE123 4.4 25.5 1.0 CA E:GLY99 4.5 16.0 1.0 O E:ASP81 4.5 19.3 1.0 CA E:TYR124 4.6 25.9 1.0 C E:TYR124 4.6 26.0 1.0 NE1 E:TRP128 4.7 18.6 1.0 CA E:ASN125 4.9 25.1 1.0 CG E:PHE123 4.9 24.5 1.0 CB E:ASP121 4.9 17.9 1.0 C E:GLY99 5.0 17.6 1.0

Calcium binding site 4 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca918 b:41.2 occ:1.00 O G:PHE123 2.4 23.8 1.0 O G:HOH945 2.5 34.3 1.0 OD1 G:ASN125 2.5 23.4 1.0 O G:HOH946 2.5 23.0 1.0 OD1 G:ASP121 2.6 23.8 1.0 OD2 G:ASP129 2.6 22.8 1.0 OD2 G:ASP121 2.8 21.8 1.0 CG G:ASP121 3.1 18.2 1.0 CG G:ASN125 3.5 20.4 1.0 C G:PHE123 3.7 19.6 1.0 CG G:ASP129 3.7 23.4 1.0 OD1 G:ASP129 4.0 24.0 1.0 CB G:ASN125 4.0 21.1 1.0 N G:ASN125 4.1 20.4 1.0 N G:PHE123 4.4 18.3 1.0 O G:GLY99 4.4 17.0 1.0 O G:HOH947 4.4 20.6 1.0 CA G:PHE123 4.4 19.9 1.0 MN G:MN919 4.5 25.9 1.0 CB G:PHE123 4.5 15.8 1.0 NE1 G:TRP128 4.5 17.8 1.0 ND2 G:ASN125 4.6 20.6 1.0 N G:TYR124 4.6 22.0 1.0 CB G:ASP121 4.6 16.4 1.0 CD2 G:PHE123 4.6 17.4 1.0 O G:ASP81 4.7 17.3 1.0 CA G:TYR124 4.7 22.2 1.0 CA G:ASN125 4.7 21.6 1.0 C G:TYR124 4.7 21.7 1.0 OD1 G:ASP81 4.8 16.3 1.0 CA G:GLY99 4.9 15.7 1.0 CB G:ASP129 5.0 22.6 1.0

Y.Bourne, A.Ayouba, P.Rouge, C.Cambillau. Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall. A Crystallographic Study. J.Biol.Chem. V. 269 9429 1994.
ISSN: ISSN 0021-9258
PubMed: 8144527